HMDB0031257 RDKit 3D Dimethyl fumarate 18 17 0 0 0 0 0 0 0 0999 V2000 4.0514 0.5373 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 0.6572 0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -0.2751 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -1.2428 -0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -0.0411 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5489 -0.9053 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.7445 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 -1.5954 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4821 0.3391 0.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 0.5738 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3603 -0.0796 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4517 1.5915 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5229 0.1295 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 0.8190 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 -1.7691 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 1.1952 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 1.1995 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 -0.3892 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 6 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 M END